SCHEMBL4386872

SCHEMBL4386872

CN1C(N)=Nc2nc(-c3c(F)cccc3OC3CCCC3)ccc2C1N

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.36
MAP4K1 Q92918 2/20 0.33
PIM1 P11309 3/20 0.31
PIM3 Q86V86 3/20 0.31
PIM2 Q9P1W9 3/20 0.31
RIPK1 Q13546 2/20 0.31
FEN1 P39748 1/20 0.31
F2 P00734 1/20 0.31
F10 P00742 1/20 0.31
PLG P00747 1/20 0.31
PLAU P00749 1/20 0.31
PLAT P00750 1/20 0.31
PDE4D Q08499 2/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
AXL P30530 1/20 0.30
FLT3 P36888 1/20 0.30
MERTK Q12866 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4373580 0.87 MCHR1 (0.36) MCHR1
SCHEMBL4387064 0.85 MAP4K1 (0.40) MAP4K1
SCHEMBL3727498 0.84 F2RL3 (0.33) PIM1PIM3PIM2
SCHEMBL4378502 0.81 MCHR1 (0.36) MCHR1MAP4K1
SCHEMBL3734371 0.79 PDE2A (0.32) MAP4K1
SCHEMBL3732356 0.78 PTPN1 (0.49) PIM1PIM3PIM2FEN1
SCHEMBL3732567 0.78 PTPN1 (0.48) PIM1PIM3PIM2FEN1
SCHEMBL4386814 0.77 PTPN1 (0.34) PIM1PIM3PIM2
SCHEMBL3732360 0.77 PTPN1 (0.45) PIM1
SCHEMBL4386942 0.74 PTPN1 (0.40)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910359-B1 PYRIDO [2 , 3-D]PYRIMIDINE-2 , 4-DIAMINE COMPOUNDS AS PTPlB INHIBITORS HOFFMANN LA ROCHE (CH) 2009-11-18 EP claimed